[2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate

C19H18F2N2O7 — CID 27110416

IUPAC[2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C19H18F2N2O7/c1-27-14-5-10(6-15(28-2)18(14)29-8-16(22)24)19(26)30-9-17(25)23-11-3-4-12(20)13(21)7-11/h3-7H,8-9H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyQWFKLPNCIDIATJ-UHFFFAOYSA-N
MW424.36 g/mol
LogP1.64
Rot. Bonds9

About [2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate

[2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate (PubChem CID 27110416) has the molecular formula C19H18F2N2O7 and a molecular weight of 424.36 g/mol. Its IUPAC name is [2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate
PubChem CID27110416
Molecular FormulaC19H18F2N2O7
Molecular Weight424.36 g/mol
Exact Mass424.11
IUPAC Name[2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C19H18F2N2O7/c1-27-14-5-10(6-15(28-2)18(14)29-8-16(22)24)19(26)30-9-17(25)23-11-3-4-12(20)13(21)7-11/h3-7H,8-9H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyQWFKLPNCIDIATJ-UHFFFAOYSA-N
XLogP1.64
TPSA126.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate
CID 27110421
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678401
[2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2665383
2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7771685
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate
CID 46859616
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075540
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507903
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate
CID 27110749
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3,4,5-trimethoxybenzoate
CID 8013526
[2-(4-chloroanilino)-2-oxoethyl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 25439557
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 9201449
[2-(4-carbamoylanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2499683

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate?
The IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate (CID 27110416) is [2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate.
What is the SMILES notation for [2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate?
The canonical SMILES for [2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate is COc1cc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)cc(OC)c1OCC(N)=O.
What is the InChIKey of [2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate?
The InChIKey is QWFKLPNCIDIATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O7/c1-27-14-5-10(6-15(28-2)18(14)29-8-16(22)24)19(26)30-9-17(25)23-11-3-4-12(20)13(21)7-11/h3-7H,8-9H2,1-2H3,(H2,22,24)(H,23,25).
What are the key properties of [2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate?
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate has a molecular weight of 424.36 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate is sourced from PubChem (CID 27110416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).